2-[[1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]terephthalic acid Traditional Name: 2-[[5-keto-1-(4-methoxyphenyl)pyrrolidine-3-carbonyl]amino]terephthalic acid Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H18N2O7/c1-29-14-5-3-13(4-6-14)22-10-12(9-17(22)23)18(24)21-16-8-11(19(25)26)2-7-15(16)20(27)28/h2-8,12H,9-10H2,1H3,(H,21,24)(H,25,26)(H,27,28)